S-(4-formyl-3-hydroxyphenyl) dimethylcarbamothioate | 1356543-46-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: S-(4-formyl-3-hydroxyphenyl) dimethylcarbamothioate
• 英文别名: 1-[(4-formyl-3-hydroxyphenyl)sulfanyl]-N,N-dimethylformamide；S-(4-formyl-3-hydroxyphenyl) N,N-dimethylcarbamothioate
• CAS: 1356543-46-8
• 化学式: C₁₀H₁₁NO₃S
• 分子量: 225.268
• InChiKey: LZRGHWBCXWEYJQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  82.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  S-(4-formyl-3-hydroxyphenyl) dimethylcarbamothioate 在 哌啶 、 盐酸 、 水 、 potassium hydroxide 作用下， 以 甲醇 、 乙醇 为溶剂， 反应 34.0h， 生成 3-(benzo[d]thiazol-2-yl)-7-mercapto-2H-chromen-2-one
  参考文献：
  名称：

  Fluorescent Coumarin Thiols Measure Biological Redox Couples

  摘要：

  In this report we present a new chemical probe, 3-HTC, that can reversibly and ratiometrically measure the thiol-disulfide equilibrium of biological systems. 3-HTC is composed of a coumarin that has a thiolate directly conjugated to its extended aromatic pi system while formation of a disulfide attenuates this conjugation. The fluorescence and absorption properties of 3-HTC are therefore very sensitive to the redox state of its thiol. 3-HTC reacts reversibly with thiols and disulfides enabling its use to measure dynamic GSH/GSSH ratios in vitro as well as to monitor the reversible redox status of whole cell lysates.

  DOI：

  10.1021/ol203105c
• 作为产物：
  描述：

  dimethylthiocarbamic acid 4-formyl-3-methoxyphenyl ester 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 反应 2.67h， 生成 S-(4-formyl-3-hydroxyphenyl) dimethylcarbamothioate
  参考文献：
  名称：

  Fluorescent Coumarin Thiols Measure Biological Redox Couples

  摘要：

  In this report we present a new chemical probe, 3-HTC, that can reversibly and ratiometrically measure the thiol-disulfide equilibrium of biological systems. 3-HTC is composed of a coumarin that has a thiolate directly conjugated to its extended aromatic pi system while formation of a disulfide attenuates this conjugation. The fluorescence and absorption properties of 3-HTC are therefore very sensitive to the redox state of its thiol. 3-HTC reacts reversibly with thiols and disulfides enabling its use to measure dynamic GSH/GSSH ratios in vitro as well as to monitor the reversible redox status of whole cell lysates.

  DOI：

  10.1021/ol203105c

文献信息

• [EN] HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES<br/>[FR] COMPOSÉS HYDROPHOBES POUR DISPOSITIFS OPTIQUEMENT ACTIFS
  申请人：MERCK PATENT GMBH

  公开号：WO2018149852A1

  公开（公告）日：2018-08-23

  The present invention relates to novel compounds (I) particularly to compounds comprising a photoactive unit, said novel compounds being particularly suitable for compositions and ophthalmic devices as well as to compositions and ophthalmic devices comprising such compounds.

  本发明涉及新化合物（I），特别涉及包含光活性单元的化合物，这些新化合物特别适用于组合物和眼科器械，以及包含这些化合物的组合物和眼科器械。
• [EN] COMPOUNDS FOR OPTICALLY ACTIVE DEVICES<br/>[FR] COMPOSÉS POUR DISPOSITIFS OPTIQUEMENT ACTIFS
  申请人：MERCK PATENT GMBH

  公开号：WO2017032442A1

  公开（公告）日：2017-03-02

  The present invention relates to novel compounds, particularly to compounds comprising a photoactive unit, said novel compounds being particularly suitable for ophthalmic devices as well as to ophthalmic devices comprising such compounds.

  本发明涉及新型化合物，特别是包含光活性单元的化合物，这些新型化合物特别适用于眼科设备，以及包含这些化合物的眼科设备。
• HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES
  申请人：Merck Patent GmbH

  公开号：EP3363787A1

  公开（公告）日：2018-08-22

  The present invention relates to novel compounds (I), particularly to compounds comprising a photoactive unit, said novel compounds being particularly suitable for compositions and ophthalmic devices as well as to compositions and ophthalmic devices comprising such compounds.

  本发明涉及新型化合物 (I)，特别是包含光活性单元的化合物，所述新型化合物特别适用于组合物和眼科设备，以及包含此类化合物的组合物和眼科设备。
• Compounds for optically active devices
  申请人：Merck Patent GmbH

  公开号：US10457658B2

  公开（公告）日：2019-10-29

  The present invention relates to novel compounds, particularly to compounds comprising a photoactive unit, said novel compounds being particularly suitable for ophthalmic devices as well as to ophthalmic devices comprising such compounds.

  本发明涉及新型化合物，特别是包含光活性单元的化合物，所述新型化合物特别适用于眼科设备以及包含此类化合物的眼科设备。
• Hydrophobic compounds for optically active devices
  申请人：Merck Patent GmbH

  公开号：US11014901B2

  公开（公告）日：2021-05-25

  The present invention relates to novel compounds, particularly to compounds comprising a photoactive unit, said novel compounds being particularly suitable for compositions and ophthalmic devices as well as to compositions and ophthalmic devices comprising such compounds.

  本发明涉及新型化合物，特别是包含光活性单元的化合物，所述新型化合物特别适用于组合物和眼科设备，以及包含此类化合物的组合物和眼科设备。